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CHEBI:199954 - Chaetophenol D

ChEBI IDCHEBI:199954
ChEBI NameChaetophenol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O6
Net Charge0
Average Mass452.547
Monoisotopic Mass452.21989
SMILESCC(C)=CCc1c(O)c(C)c(O)c2c1[C@H]1[C@@H]3O[C@@H](C)Cc4cc(O)c(C)c(c43)O[C@@]1(C)OC2
InChIInChI=1S/C27H32O6/c1-12(2)7-8-17-21-18(24(30)15(5)23(17)29)11-31-27(6)22(21)26-20-16(9-13(3)32-26)10-19(28)14(4)25(20)33-27/h7,10,13,22,26,28-30H,8-9,11H2,1-6H3/t13-,22-,26+,27+/m0/s1
InChIKeyLPXNXIXQBYOZFL-VKYYYYTMSA-N
Species of MetaboliteComponentSourceComments
Dichotomopilus indicus (ncbitaxon:1934381) - PubMed (23767797)
ChEBI Ontology
Outgoing Relation(s)
Chaetophenol D (CHEBI:199954) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(1S,2S,11R,19S)-6,11,14,19-tetramethyl-4-(3-methylbut-2-enyl)-10,12,20-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-3(8),4,6,13(21),14,16-hexaene-5,7,15-triol
Manual XrefsDatabases
78436561ChemSpider